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CHEBI:222908 - Fomentarol A

ChEBI IDCHEBI:222908
ChEBI NameFomentarol A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H44O4
Net Charge0
Average Mass444.656
Monoisotopic Mass444.32396
SMILESCC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@]2(O)C3=C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)C3=CC[C@]12C
InChIInChI=1S/C28H44O4/c1-17(2)18(3)7-8-19(4)21-11-14-27(31)23-15-24(30)28(32)16-20(29)9-12-26(28,6)22(23)10-13-25(21,27)5/h7-8,10,15,17-21,24,29-32H,9,11-14,16H2,1-6H3/b8-7+/t18-,19+,20-,21+,24+,25+,26+,27+,28-/m0/s1
InChIKeyUINOLJHENPVVMP-STGSRIEASA-N
Species of MetaboliteComponentSourceComments
Fomes fomentarius (ncbitaxon:40442) - PubMed (23747096)
ChEBI Ontology
Outgoing Relation(s)
Fomentarol A (CHEBI:222908) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(3S,5R,6R,10R,13R,14S,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,5,6,14-tetrol
Manual XrefsDatabases
78443484ChemSpider